3-amino-1,1,1-trifluoro-2-(4-methoxyphenyl)propan-2-ol

C10H12F3NO2 — CID 63083264

IUPAC3-amino-1,1,1-trifluoro-2-(4-methoxyphenyl)propan-2-ol
SMILESCOc1ccc(C(O)(CN)C(F)(F)F)cc1
InChIInChI=1S/C10H12F3NO2/c1-16-8-4-2-7(3-5-8)9(15,6-14)10(11,12)13/h2-5,15H,6,14H2,1H3
InChIKeyDDZTUMHXVDDQOW-UHFFFAOYSA-N
MW235.20 g/mol
LogP1.40
Rot. Bonds3

About 3-amino-1,1,1-trifluoro-2-(4-methoxyphenyl)propan-2-ol

3-amino-1,1,1-trifluoro-2-(4-methoxyphenyl)propan-2-ol (PubChem CID 63083264) has the molecular formula C10H12F3NO2 and a molecular weight of 235.20 g/mol. Its IUPAC name is 3-amino-1,1,1-trifluoro-2-(4-methoxyphenyl)propan-2-ol.

Molecular Properties

Compound Name3-amino-1,1,1-trifluoro-2-(4-methoxyphenyl)propan-2-ol
PubChem CID63083264
Molecular FormulaC10H12F3NO2
Molecular Weight235.20 g/mol
Exact Mass235.08
IUPAC Name3-amino-1,1,1-trifluoro-2-(4-methoxyphenyl)propan-2-ol
SMILESCOc1ccc(C(O)(CN)C(F)(F)F)cc1
InChIInChI=1S/C10H12F3NO2/c1-16-8-4-2-7(3-5-8)9(15,6-14)10(11,12)13/h2-5,15H,6,14H2,1H3
InChIKeyDDZTUMHXVDDQOW-UHFFFAOYSA-N
XLogP1.40
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3,3-difluoro-2-(4-methoxyphenyl)butan-2-ol
CID 105489048
3-amino-2-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol
CID 47002646
1,1,1-trifluoro-2-(4-methoxyphenyl)-4,4-diphenylbutan-2-ol
CID 168720238
(E)-1,1,1-trifluoro-2-(4-methoxyphenyl)-6-trimethylsilylhex-4-en-2-ol
CID 132567578
6,6,6-trifluoro-5-hydroxy-5-(4-methoxyphenyl)-2-methyl-3-oxohexanoic acid
CID 122573519
1,4-bis[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]benzene
CID 88568102
3-amino-2-(3,5-dimethylphenyl)-1,1,1-trifluoropropan-2-ol
CID 63083089
2-(4-methoxyphenyl)butan-2-ol
CID 10307904
3-amino-1,1,1-trifluoro-2-(2-methoxy-4-methylphenyl)propan-2-ol
CID 83919722
1-(2,3-dibromo-1,1,1-trifluoropropan-2-yl)-4-methoxybenzene
CID 154711398
2,2,2-trifluoro-1-(4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 175254129
2,2-difluoro-2-(4-methoxyphenyl)acetamide
CID 115022146

Frequently Asked Questions

What is the IUPAC name of 3-amino-1,1,1-trifluoro-2-(4-methoxyphenyl)propan-2-ol?
The IUPAC name of 3-amino-1,1,1-trifluoro-2-(4-methoxyphenyl)propan-2-ol (CID 63083264) is 3-amino-1,1,1-trifluoro-2-(4-methoxyphenyl)propan-2-ol.
What is the SMILES notation for 3-amino-1,1,1-trifluoro-2-(4-methoxyphenyl)propan-2-ol?
The canonical SMILES for 3-amino-1,1,1-trifluoro-2-(4-methoxyphenyl)propan-2-ol is COc1ccc(C(O)(CN)C(F)(F)F)cc1.
What is the InChIKey of 3-amino-1,1,1-trifluoro-2-(4-methoxyphenyl)propan-2-ol?
The InChIKey is DDZTUMHXVDDQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO2/c1-16-8-4-2-7(3-5-8)9(15,6-14)10(11,12)13/h2-5,15H,6,14H2,1H3.
What are the key properties of 3-amino-1,1,1-trifluoro-2-(4-methoxyphenyl)propan-2-ol?
3-amino-1,1,1-trifluoro-2-(4-methoxyphenyl)propan-2-ol has a molecular weight of 235.20 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1,1,1-trifluoro-2-(4-methoxyphenyl)propan-2-ol is sourced from PubChem (CID 63083264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).